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2,2,4,4-Tetramethyl-1,5-bis(4-t-butylphenyl)-6,7-dithiabicyclo[3.1.1]heptane
SpectraBase Compound ID EeofbmOQ8Hl
InChI InChI=1S/C29H40S2/c1-24(2,3)20-11-15-22(16-12-20)28-26(7,8)19-27(9,10)29(30-28,31-28)23-17-13-21(14-18-23)25(4,5)6/h11-18H,19H2,1-10H3
InChIKey BEWXLXCLZCZHFS-UHFFFAOYSA-N
Mol Weight 452.8 g/mol
Molecular Formula C29H40S2
Exact Mass 452.257144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZmhdp0G5dt
Name 2,2,4,4-Tetramethyl-1,5-bis(4-t-butylphenyl)-6,7-dithiabicyclo[3.1.1]heptane
Alternate Name(s) 1,5-bis(4-tert-butylphenyl)-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40S2
InChI InChI=1S/C29H40S2/c1-24(2,3)20-11-15-22(16-12-20)28-26(7,8)19-27(9,10)29(30-28,31-28)23-17-13-21(14-18-23)25(4,5)6/h11-18H,19H2,1-10H3
InChIKey BEWXLXCLZCZHFS-UHFFFAOYSA-N
Molecular Weight 452.759 g/mol
SMILES C12(SC(S2)(c2ccc(C(C)(C)C)cc2)C(CC1(C)C)(C)C)c1ccc(C(C)(C)C)cc1
SPLASH splash10-004i-3093100000-5ee1438a6716fafed95d
Source of Spectrum AJ-70-519-18
Wiley ID 773976